| Name |
Ipomoeassin A
(-)-Ipomoeassin A |
| Formula |
C42H58O15 |
| Mw |
802.37757118 |
| CAS RN |
850894-51-8 |
| C_ID |
C00042621
, 
|
| InChIKey |
UIMJTDXGFNDFRJ-UBJUVULBNA-N |
| InChICode |
InChI=1S/C42H58O15/c1-6-15-30-19-14-9-8-13-18-29(44)21-23-32(45)50-24-31-37(55-33(46)22-20-28-16-11-10-12-17-28)38(56-40(49)25(3)7-2)35(48)41(54-31)57-39-34(47)36(52-27(5)43)26(4)51-42(39)53-30/h7,10-12,16-17,20,22,26,30-31,34-39,41-42,47-48H,6,8-9,13-15,18-19,21,23-24H2,1-5H3/b22-20+,25-7+/t26-,30+,31-,34+,35-,36+,37+,38-,39-,41+,42+/m1/s1 |
| SMILES |
C1CC(=O)CCC(=O)OC[C@H]2O[C@@H](O[C@H]3[C@H](O[C@H](CCCC1)CCC)O[C@@H]([C@@H]([C@@H]3O)OC(=O)C)C)[C@@H]([C@H]([C@H]2OC(=O)/C=C/c1ccccc1)OC(=O)/C(=C/C)/C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea squamosa | Ref. |
|
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